General
Preferred name
TOMATINE
Synonyms
LYCOPERSICIN ()
Tomatine ()
¦Á-Tomatine ()
α-Tomatine ()
Tomatin ()
P&D ID
PD088019
CAS
17406-45-0
Tags
available
drug candidate
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tomatine is a glycoalkaloid, found in the tomato plant (Lycopersicon esculentum Mill.). Tomatine elicits neurotoxicity in RIP1 kinase and caspase-independent manner. Tomatine promotes the upregulation of nuclear apoptosis inducing factor (AIF) in neuroblastoma cells. Tomatine also inhibits 20S proteasome activity[1].
DESCRIPTION Tomatine (lycopersicin) is an antiproliferatve agent of breast adenocarcinoma cells. (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
1033.55
Hydrogen Bond Acceptors
22
Hydrogen Bond Donors
13
Rotatable Bonds
11
Ring Count
10
Aromatic Ring Count
0
cLogP
-2.7
TPSA
337.86
Fraction CSP3
1.0
Chiral centers
31.0
Largest ring
6.0
QED
0.09
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Apoptosis
Proteasome
Fungal
Therapeutic Class
Antimicrobial Agents
Pathway
Proteases/Proteasome
Ubiquitination
Metabolic Enzyme/Protease
Source data